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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:35:18 UTC
Update Date2025-03-24 22:08:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02003289
Frequency0.6
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESO=C1OC(CO)C2OCC12
InChI KeyRNBWJIHLDDLWSA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,4-dioxepanes
Direct Parent 1,4-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxetanes
  • primary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • carbonyl group
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • carboxylic acid derivative
  • dialkyl ether
  • gamma butyrolactone
  • lactone
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • oxetane
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound